(5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2-aminoethylcarbamoyl)-3-(3-methoxybenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(2-aminoethylcarbamoyl)-3-(3-methoxybenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-m-anisoyl-hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C26H40N4O5 MolecularWeight: 488.6196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)OC)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)OC)C(C)C

InChI

InChI=1S/C26H40N4O5/c1-17(2)21-10-9-18(3)15-22(21)35-26(33)30-14-6-13-29(24(30)23(31)28-12-11-27)25(32)19-7-5-8-20(16-19)34-4/h5,7-8,16-18,21-22,24H,6,9-15,27H2,1-4H3,(H,28,31)